2~4~-chloro-1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Chemical Structure Depiction of
2~4~-chloro-1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
2~4~-chloro-1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | Y505-7142 |
| Compound Name: | 2~4~-chloro-1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 447.86 |
| Molecular Formula: | C17 H14 Cl N7 O4 S |
| Smiles: | Cn1cc(cn1)c1c(c(c2cnn(C)c2)n(n1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7759 |
| logD: | 1.7759 |
| logSw: | -3.1404 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 102.538 |
| InChI Key: | IGCNLSJSRAIELT-UHFFFAOYSA-N |